A molecular dynamics simulation of the vibrational properties of the Ar1-x(N2)x crystal

Simone Raugei, Gianni Cardini, Vincenzo Schettino, Hans J. Jodl

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A classical molecular dynamics calculation of the vibrational properties (and in particular of the infrared and Raman response) of the Ar1-x(N2)x mixed crystal is presented based on an intermolecular interaction potential including electrostatic terms. The lattice and internal vibration region are discussed separately. The vibrational properties are correlated with the structural properties and with the orientational ordering in the crystals.

Original languageEnglish
Pages (from-to)6382-6389
Number of pages8
JournalJournal of Chemical Physics
Issue number15
Publication statusPublished - 1998


ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

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